2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine

C16H33N3 — CID 55216410

IUPAC2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC1CN(CC2CC(C)CCC2NC)CCN1C
InChIInChI=1S/C16H33N3/c1-5-15-12-19(9-8-18(15)4)11-14-10-13(2)6-7-16(14)17-3/h13-17H,5-12H2,1-4H3
InChIKeyYOIMWKRYKQWQFD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds4

About 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 55216410) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID55216410
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC1CN(CC2CC(C)CCC2NC)CCN1C
InChIInChI=1S/C16H33N3/c1-5-15-12-19(9-8-18(15)4)11-14-10-13(2)6-7-16(14)17-3/h13-17H,5-12H2,1-4H3
InChIKeyYOIMWKRYKQWQFD-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63636012
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63635303
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 62614705
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62775719
N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63003105
2-[(3-ethylmorpholin-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62616814
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62616797
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 63634778
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 63621616
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
CID 63609506

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 55216410) is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine is CCC1CN(CC2CC(C)CCC2NC)CCN1C.
What is the InChIKey of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is YOIMWKRYKQWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-15-12-19(9-8-18(15)4)11-14-10-13(2)6-7-16(14)17-3/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55216410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).